​JOE - ≥97% , CAS No.82855-40-1

CAS: 82855-40-1 Cat. No.: J647220 Molecular Weight: 505.26

GRADE & PURITY ≥97%

Synonyms

Q27123534 | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid | CHEBI:52654 | 6-JOE | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid | HY-D1

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

JOE is a fluorescent dye and can be used as a fluorescent label in DNA sequencing, PCR , and LCR amplifications. JOE possesses an absorbance of 525 nm and an emission of 550 nm.

Form:Solid

Specifications

Synonyms

Q27123534 | 4', 5'-dichloro-3', 6'-dihydroxy-2', 7'-dimethoxy-1-oxospiro[2-benzofuran-3, 9'-xanthene]-5-carboxylic acid | CHEBI:52654 | 6-JOE | 4', 5'-dichloro-3', 6'-dihydroxy-2', 7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1, 9'-xanthene]-6-carboxylic acid | HY-D1

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

JOE is a fluorescent dye and can be used as a fluorescent label in DNA sequencing, PCR , and LCR amplifications. JOE possesses an absorbance of 525 nm and an emission of 550 nm.

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)O)C(=O)O3)Cl)O
• IUPAC Name: 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
• InChIKey: IDLISIVVYLGCKO-UHFFFAOYSA-N
• INCHI: 1S/C23H14Cl2O9/c1-31-13-6-11-19(15(24)17(13)26)33-20-12(7-14(32-2)18(27)16(20)25)23(11)10-5-8(21(28)29)3-4-9(10)22(30)34-23/h3-7,26-27H,1-2H3,(H,28,29)
• Isomeric SMILES: COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)O)C(=O)O3)Cl)O
• Molecular Weight: 505.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: P-phthalic acid and derivatives Diarylethers Phthalides Benzofuranones Isobenzofurans Anisoles Alkyl aryl ethers Aryl chlorides Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Para_phthalic_acid - Diaryl ether - Isobenzofuranone - Phthalide - Benzofuranone - Isocoumaran - Isobenzofuran - Anisole - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• External Descriptors: xanthenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 505.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 504.001 Da
• Monoisotopic Mass: 504.001 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 790.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1